5-methoxy-4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-benzoxathiol-2-one

Systemtic Name: 5-methoxy-4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-benzoxathiol-2-one Openeye Name: 5-methoxy-4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-benzoxathiol-2-one CAS Name: 5-methoxy-4-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-1,3-benzoxathiol-2-one IUPAC Name: 5-methoxy-4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-benzoxathiol-2-one Traditional Name: 5-methoxy-4-[(E)-3-(4-nitrophenyl)acryloyl]-1,3-benzoxathiol-2-one Formula: C17H11NO6S MolecularWeight: 357.33734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)OC(=O)S2)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C2=C(C=C1)OC(=O)S2)C(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H11NO6S/c1-23-13-8-9-14-16(25-17(20)24-14)15(13)12(19)7-4-10-2-5-11(6-3-10)18(21)22/h2-9H,1H3/b7-4+